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PB-22

View entire compound with spectra: 3 NMR, 3 FTIR, 1 Raman, and 9 MS (GC)

PB-22
SpectraBase Compound ID JALu5gmJeuf
InChI InChI=1S/C23H22N2O2/c1-2-3-6-15-25-16-19(18-11-4-5-12-20(18)25)23(26)27-21-13-7-9-17-10-8-14-24-22(17)21/h4-5,7-14,16H,2-3,6,15H2,1H3
InChIKey ZAVGICCEAOUWFM-UHFFFAOYSA-N
Mol Weight 358.44 g/mol
Molecular Formula C23H22N2O2
Exact Mass 358.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkkNPh98lOF
Name PB-22
Alternate Name(s) 1-Pentyl-8-quinolinyl ester-1H-indole-3-carboxylic acid QUPIC Quinolin-8-yl 1-pentyl-1H-indole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N2O2
InChI InChI=1S/C23H22N2O2/c1-2-3-6-15-25-16-19(18-11-4-5-12-20(18)25)23(26)27-21-13-7-9-17-10-8-14-24-22(17)21/h4-5,7-14,16H,2-3,6,15H2,1H3
InChIKey ZAVGICCEAOUWFM-UHFFFAOYSA-N
Molecular Weight 358.441 g/mol
SMILES c1(c2c(ccc1)cccn2)OC(c1c[n](c2c1cccc2)CCCCC)=O
SPLASH splash10-03di-1590000000-ef7642a4de96f91a644a
Source of Spectrum SWG-33-3759-0
Wiley ID 1810477